SMILES:
CCC#Cc1cc(OC)cc[n+]1NMolecular Processing
Molecular formula
C10H13N2O+
Molecular weight
177.23
Exact mass
177.1022
XLogP
0.46
TPSA
39.13
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
50.51
Supplementary Information
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